[Pw_forum] plotrho.x error
Maryam Jamali
jamali at dena.kntu.ac.ir
Thu Mar 10 09:03:28 CET 2011
Dear all,
There are 155 atoms in my system. I want to calculate charge density, I runned pw.x and pp.x program without any problem and I got file.dat for charge density. when I running plotrho.x program, I got the following error:
Error: too many atoms ( 155, max: 130)
thankyou for any suggestions to plot charge.
the input files for pp.x:
&inputpp
prefix = 'scf51'
outdir = './'
filplot = 'file1'
plot_num= 0
/
&plot
nfile = 1
filepp(1) = 'file1'
weight(1) = 1.0
iflag = 2
output_format = 2
fileout = 'file1.dat'
e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
e2(1) =0.0, e2(2)=0.5, e2(3) = 0.0,
x0(1) =-0.29166666, x0(2)=0.0, x0(3)=0.0275
nx=60, ny=60
/
and for plotrho.x:
file1.dat
file1.ps
0.01 0.5 10
thank you in advance
maryam jamali
Ph.D student of physical chemistry
K.N.T university of technology, tehran
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